2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone

C19H21NO3 — CID 124725307

IUPAC2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
SMILESCOc1cc(CC(=O)N2CC[C@H](c3ccccc3)C2)ccc1O
InChIInChI=1S/C19H21NO3/c1-23-18-11-14(7-8-17(18)21)12-19(22)20-10-9-16(13-20)15-5-3-2-4-6-15/h2-8,11,16,21H,9-10,12-13H2,1H3/t16-/m0/s1
InChIKeyDOOLAAQSRCCNOK-INIZCTEOSA-N
MW311.38 g/mol
LogP2.96
Rot. Bonds4

About 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone

2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone (PubChem CID 124725307) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
PubChem CID124725307
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
SMILESCOc1cc(CC(=O)N2CC[C@H](c3ccccc3)C2)ccc1O
InChIInChI=1S/C19H21NO3/c1-23-18-11-14(7-8-17(18)21)12-19(22)20-10-9-16(13-20)15-5-3-2-4-6-15/h2-8,11,16,21H,9-10,12-13H2,1H3/t16-/m0/s1
InChIKeyDOOLAAQSRCCNOK-INIZCTEOSA-N
XLogP2.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone
CID 124761216
2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 124875886
2-(4-hydroxy-3-methylphenyl)-1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 124875884
2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 42852719
1-[(3R)-3-(4-hydroxyphenyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 124760656
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 103900845
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
1-(3-bromo-4-methylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102962225
N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 166298536
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone (CID 124725307) is 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone is COc1cc(CC(=O)N2CC[C@H](c3ccccc3)C2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone?
The InChIKey is DOOLAAQSRCCNOK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-18-11-14(7-8-17(18)21)12-19(22)20-10-9-16(13-20)15-5-3-2-4-6-15/h2-8,11,16,21H,9-10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone?
2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone has a molecular weight of 311.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124725307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).